2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride

C8H7ClF3NO2 — CID 131676472

IUPAC2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3NO2.ClH/c9-8(10,11)6-3-1-2-5(12-6)4-7(13)14;/h1-3H,4H2,(H,13,14);1H
InChIKeyINDXSHFUXQHDCZ-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.15
Rot. Bonds2

About 2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride

2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride (PubChem CID 131676472) has the molecular formula C8H7ClF3NO2 and a molecular weight of 241.60 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride
PubChem CID131676472
Molecular FormulaC8H7ClF3NO2
Molecular Weight241.60 g/mol
Exact Mass241.01
IUPAC Name2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3NO2.ClH/c9-8(10,11)6-3-1-2-5(12-6)4-7(13)14;/h1-3H,4H2,(H,13,14);1H
InChIKeyINDXSHFUXQHDCZ-UHFFFAOYSA-N
XLogP2.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride?
The IUPAC name of 2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride (CID 131676472) is 2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride is Cl.O=C(O)Cc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride?
The InChIKey is INDXSHFUXQHDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2.ClH/c9-8(10,11)6-3-1-2-5(12-6)4-7(13)14;/h1-3H,4H2,(H,13,14);1H.
What are the key properties of 2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride?
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride has a molecular weight of 241.60 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid;hydrochloride is sourced from PubChem (CID 131676472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).